Surface Electronic Structure of TiO_2 by the DV-Xα Cluster Calculation
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概要
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The discrete variational Xct calculation is applied to variotts clusters of rutile tostudy the electronic structure of the bulk and (110) surface. The numerical resultfor the cluster including the removed oxygen site by the argon bombardmentreveals the appearance of the defect state slightly below the conduction band,which corresponds with the observations by the UPS and ELS experiment.
- 社団法人日本物理学会の論文
- 1978-03-15
著者
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Adachi Hirohiko
Faculty Of Engineering Osaka University
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Tsukada Masaru
Institute For Molecular Science
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SATOKO Chikatoshi
Institute for Molecular Science
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Tsukada Masaru
Institute For Molecular Sciencce
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